HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxybenzaldehyd
hydroxybenzaldehyde · MHB · M-HYDROXYBENZALDEHYDE · Benzaldehyde, 3-hydroxy- · 3-hydroxy-benzaldehyd · m-Formylphenol · Roxatidine Impurity 3 · NSC 3504
Identifikatoren & physikalische Daten
| CAS No. | 100-83-4 |
|---|---|
| Summenformel | C7H6O2 |
| Durchschnittliche Molmasse | 122,12 g/mol |
| Monoisotopische Masse | 122,03677943 g/mol |
| SMILES | O=Cc1cccc(O)c1 |
| InChIKey | IAVREABSGIHHMO-UHFFFAOYSA-N |
| PubChem CID | 101 |
| ChEMBL | CHEMBL243816 |
| ChEBI | CHEBI:16207 |
| EC No. | 202-892-9 |
| DTXSID | DTXSID7059220 |
| Lokaler Name | 3-Hydroxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 101 |
| Stoffklassen | Other Classes -> BenzaldehydesIndustrial compound |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Pestizide | Insecticides |
| LogP (Verteilungskoeffizient) | 1.29 |
| Dampfdruck | 0.01 [mmHg] |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 118 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Schmelzpunkt | 100-103 °C(lit.) |
| Siedepunkt | 191 °C50 mm Hg(lit.) |
| Dichte | 1.1179 |
| Brechungsindex | 1.5286 (estimate) |
| Flammpunkt | 191°C/50mm |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Soluble in DMSO and Methanol |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 8.98(at 25℃) |
| Farbe | faintly yellow to light brown |
| pH | 3-4 (H2O, 20℃)(saturated solution) |
| BRN | 507099 |
| Henry-Konstante | 3.9×103 mol/(m3Pa) at 25℃, Gaffney and Senum (1984) |
| Hauptanwendungen | food and beveragespersonal carepharmaceutical |
| InChI | 1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H |
| InChIKey | IAVREABSGIHHMO-UHFFFAOYSA-N |
| SMILES | Oc1cccc(C=O)c1 |
| LogP (Verteilungskoeffizient) | 1.290 |
| CAS Datenbank | 100-83-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 3-hydroxy-(100-83-4) |
| EPA chemische Informationen | Benzaldehyde, 3-hydroxy- (100-83-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.WarningH315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 3-hydroxy-Status: Active Update: 10-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17191Benzaldehyde, 3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See p-Hydroxybenzaldehyde and Benzaldehyde. |
| Hazard Classes and Categories | Skin Irrit. 2 (90%) |
| F | 8-9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29124900 |
| RTECS-Nr. | CU6450000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
3-Hydroxybenzaldehyde is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.